A Novel Adsorption-Based Method for Revealing the Si Distribution in SAPO Molecular Sieves: The Case of SAPO-11 Научная публикация
| Журнал |
Microporous and Mesoporous Materials
ISSN: 1387-1811 , E-ISSN: 1873-3093 |
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| Вых. Данные | Год: 2021, Том: 328, Номер статьи : 111503, Страниц : 8 DOI: 10.1016/j.micromeso.2021.111503 | ||||
| Ключевые слова | SAPO-11; Si distribution; Hydrogen adsorption; Force field model | ||||
| Авторы |
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| Организации |
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Информация о финансировании (3)
| 1 | Российский фонд фундаментальных исследований | 19-43-543039 |
| 2 | Российский фонд фундаментальных исследований | 19-33-60087 (АААА-А19-119110590009-4) |
| 3 | Министерство науки и высшего образования Российской Федерации (с 15 мая 2018) | 0239-2021-0010 |
Реферат:
A novel adsorption-based method for quantitative estimation of the phosphorus atom replacement for a (Si, H+) pair in the SAPO-11 framework is suggested. The most probable configurations and regularities in the location of silicon atoms and protons in the SAPO-11 structure containing 1, 2, 3 and 5 Si atoms per unit cell were determined by computations. A new force field for adsorption simulation in the H2 – SAPO system was developed. The dependence of averaged Henry's constants for H2 adsorption at 77 K on the amount of substituted Si was calculated. The effect of model used for computation of the Si distribution probability in the SAPO-11 on the adsorption properties in the H2 – SAPO system was studied. Practical applications of the method for several SAPO-11 frameworks with different Si concentrations are demonstrated.
Библиографическая ссылка:
Grenev I.V.
, Klimkin N.D.
, Shamanaeva I.A.
, Shubin A.A.
, Chetyrin I.A.
, Gavrilov V.Y.
A Novel Adsorption-Based Method for Revealing the Si Distribution in SAPO Molecular Sieves: The Case of SAPO-11
Microporous and Mesoporous Materials. 2021. V.328. 111503 :1-8. DOI: 10.1016/j.micromeso.2021.111503 WOS Scopus РИНЦ CAPlus OpenAlex
A Novel Adsorption-Based Method for Revealing the Si Distribution in SAPO Molecular Sieves: The Case of SAPO-11
Microporous and Mesoporous Materials. 2021. V.328. 111503 :1-8. DOI: 10.1016/j.micromeso.2021.111503 WOS Scopus РИНЦ CAPlus OpenAlex
Даты:
| Поступила в редакцию: | 2 авг. 2021 г. |
| Принята к публикации: | 11 окт. 2021 г. |
| Опубликована online: | 15 окт. 2021 г. |
| Опубликована в печати: | 1 дек. 2021 г. |
Идентификаторы БД:
| Web of science: | WOS:000709959400007 |
| Scopus: | 2-s2.0-85117179686 |
| РИНЦ: | 47516037 |
| Chemical Abstracts: | 2021:2317023 |
| OpenAlex: | W3205089939 |